기본 정보
- CAS
72829-28-8- 표준 SMILES
Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(S(=O)(=O)[O-])cc3cc(Nc4nc(F)nc(F)c4Cl)ccc3c2O)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
BEHMXDLGOLJPEM-UHFFFAOYSA-K- 분자식
- C21H11ClF2N5Na3O10S3
- 평균 분자량
- 732 g/mol
- 단동위원소 질량
- 730.9017719
이름 및 식별자
- 우선 이름
- 1,4-Benzenedisulfonic acid, 2-(2-(6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-methyl-, sodium salt (1:3)
- IUPAC
- trisodium;2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,4-disulfonate
이름 및 동의어
EINECS 276-915-672829-28-8DTXSID108902971,4-Benzenedisulfonic acid, 2-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt1,4-Benzenedisulfonic acid, 2-(2-(6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-methyl-, sodium salt (1:3)1,4-Benzenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-5-methyl-, trisodium salt1,4-Benzenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-, sodium salt (1:3)RefChem:73098DTXCID001079232VEHJWMRWRYRNSI-JOURZYLGSA-KTrisodium 2-((6-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)toluene-2,5-disulphonateTrisodium 2-({6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl}diazenyl)-5-methylbenzene-1,4-disulfonate
데이터베이스 식별자
- CAS
72829-28-8- PubChem CID
- 175202
물성
구조 계산 물성
- 극성 표면적
- 280 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,290
화학 및 산업
용도 및 제조
General Manufacturing Information1,4-Benzenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-, sodium salt (1:3): INACTIVE
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